2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol

C12H20F3NO — CID 62609560

IUPAC2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CN(CC(F)(F)F)C1CC1
InChIInChI=1S/C12H20F3NO/c13-12(14,15)8-16(10-5-6-10)7-9-3-1-2-4-11(9)17/h9-11,17H,1-8H2
InChIKeyHKPGKGXXOPKSOP-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.56
Rot. Bonds4

About 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol

2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol (PubChem CID 62609560) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
PubChem CID62609560
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Name2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CN(CC(F)(F)F)C1CC1
InChIInChI=1S/C12H20F3NO/c13-12(14,15)8-16(10-5-6-10)7-9-3-1-2-4-11(9)17/h9-11,17H,1-8H2
InChIKeyHKPGKGXXOPKSOP-UHFFFAOYSA-N
XLogP2.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol (CID 62609560) is 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol is OC1CCCCC1CN(CC(F)(F)F)C1CC1.
What is the InChIKey of 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is HKPGKGXXOPKSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c13-12(14,15)8-16(10-5-6-10)7-9-3-1-2-4-11(9)17/h9-11,17H,1-8H2.
What are the key properties of 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol?
2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 251.29 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 62609560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).